N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine

C8H14N4 — CID 116823547

IUPACN,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1C(C)C
InChIInChI=1S/C8H14N4/c1-5(2)7-8(9-4)10-6(3)11-12-7/h5H,1-4H3,(H,9,10,11)
InChIKeyJTZFXEOWNJRCPV-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.35
Rot. Bonds2

About N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine

N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 116823547) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID116823547
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine
SMILESCNc1nc(C)nnc1C(C)C
InChIInChI=1S/C8H14N4/c1-5(2)7-8(9-4)10-6(3)11-12-7/h5H,1-4H3,(H,9,10,11)
InChIKeyJTZFXEOWNJRCPV-UHFFFAOYSA-N
XLogP1.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine (CID 116823547) is N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine is CNc1nc(C)nnc1C(C)C.
What is the InChIKey of N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is JTZFXEOWNJRCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5(2)7-8(9-4)10-6(3)11-12-7/h5H,1-4H3,(H,9,10,11).
What are the key properties of N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine?
N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 166.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).